[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H17FN2O3 MolecularWeight: 352.358983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O3/c1-12-3-4-13(2)16(9-12)19(24)11-26-20(25)18-10-17(22-23-18)14-5-7-15(21)8-6-14/h3-10H,11H2,1-2H3,(H,22,23)